SCHEMBL8445101

SCHEMBL8445101

COc1ccc2c(c1)c(O)nn2Cc1ccc(C)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.46
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
PTGER4 P35408 2/20 0.41
MCL1 Q07820 1/20 0.40
DCTPP1 Q9H773 1/20 0.39
KDM4E B2RXH2 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
RIOK2 Q9BVS4 1/20 0.38
LMNA P02545 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
TSHR P16473 2/20 0.38
CYP2C19 P33261 2/20 0.38
PMP22 Q01453 2/20 0.38
MEN1 O00255 1/20 0.38
RGS12 O14924 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8448659 0.88 CNR1 (0.52) CNR1CNR2PTGER4PTGDR2MAPT
SCHEMBL8448874 0.85 MAPT (0.49) NPBWR1CNR1CNR2PTGER4MCL1
SCHEMBL8310022 0.84 CCR2 (0.50) CNR1CNR2PTGER4MCL1DCTPP1
SCHEMBL8447799 0.84 FAAH (0.49) NPBWR1CNR1CNR2PTGER4PTGDR2
SCHEMBL6966885 0.84 KDM4E (0.50) CNR1CNR2PTGER4KDM4EPTGDR2
SCHEMBL8441605 0.84 PTGS2 (0.50) CNR1CNR2PTGER4MAPTKMT2A
SCHEMBL8627206 0.82 BUB1 (0.44) CNR1CNR2PTGER4KDM4EPTGDR2
SCHEMBL8521077 0.81 CCR9 (0.47) CNR1CNR2PTGER4MAPTKMT2A
SCHEMBL8450448 0.81 AKR1C3 (0.51) NPBWR1CNR1CNR2PTGER4PTGDR2
SCHEMBL8522667 0.81 PTGER4 (0.58) PTGER4MCL1KDM4ELMNANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888307-A1 1,3,5-TRISUBSTITUTED INDAZOLE DERIVATIVES WITH AN ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING ACTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 1999-01-07 EP claimed
WO-1997034874-A1 1,3,5-TRISUBSTITUTED INDAZOLE DERIVATIVES WITH AN ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING ACTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 1997-09-25 WO claimed
EP-0888307-A1 1,3,5-TRISUBSTITUTED INDAZOLE DERIVATIVES WITH AN ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING ACTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 1999-01-07 EP disclosed
WO-1997034874-A1 1,3,5-TRISUBSTITUTED INDAZOLE DERIVATIVES WITH AN ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING ACTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 1997-09-25 WO disclosed